Basic information
- CAS
15908-63-1- Standard SMILES
CSc1nc(C)[nH]c(=O)c1C#N- InChIKey
SSWJKGVCZRWCAF-UHFFFAOYSA-N- Molecular formula
- C7H7N3OS
- Average molar mass
- 181.22 g/mol
- Monoisotopic mass
- 181.03098303
Names & identifiers
- Preferred name
- 2-Methyl-4-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
- IUPAC
- 2-methyl-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
- English name
- 5-CYANO-2-METHYL-6-(METHYLTHIO)PYRIMIDIN-4(3H)-ONE
- Molecular formula
- C7H7N3OS
- Molecular weight
- 181.21
Names & synonyms
15908-63-12-methyl-4-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carbonitrileDTXSID60343127RefChem:263383DTXCID20294207MFCD000678452-methyl-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile5-Pyrimidinecarbonitrile, 1,4-dihydro-2-methyl-6-(methylthio)-4-oxo-SSWJKGVCZRWCAF-UHFFFAOYSA-N5-Pyrimidinecarbonitrile,1,4-dihydro-2-methyl-6-(methylthio)-4-oxo-Maybridge3_000540MLS000849792
Show more names
5-CYANO-2-METHYL-6-(METHYLTHIO)PYRIMIDIN-4(3H)-ONE
SCHEMBL7289243CHEMBL1533625SCHEMBL10466353HMS1432I12HMS2789C18SBB0898132-methyl-4-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrileAKOS006274883
Database identifiers
- CAS
15908-63-1- PubChem CID
- 587648
- DTXSID
DTXSID60343127
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 334
Experimental & physicochemical properties
Solubility>27.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers8 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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